Bi GTH-PBE-q5
    2    3
     0.60500000    1     7.94575692
    3
     0.58223216    3     0.64373527     2.24761617    -1.44060063
                                       -5.24479711     3.71961484
                                                      -2.95235275
     0.76639400    2     0.21253292     0.37983417
                                       -0.44942585
     0.96565479    1     0.34729822
